3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

C14H20N2O2 — CID 55170280

IUPAC3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCN1CCC(CN(C)C(=O)c2cccc(O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-15-7-6-11(9-15)10-16(2)14(18)12-4-3-5-13(17)8-12/h3-5,8,11,17H,6-7,9-10H2,1-2H3
InChIKeyXFZLYFZFSWZZCM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds3

About 3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 55170280) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID55170280
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCN1CCC(CN(C)C(=O)c2cccc(O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-15-7-6-11(9-15)10-16(2)14(18)12-4-3-5-13(17)8-12/h3-5,8,11,17H,6-7,9-10H2,1-2H3
InChIKeyXFZLYFZFSWZZCM-UHFFFAOYSA-N
XLogP1.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765252
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
4-amino-3-methoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 104782905
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 115115910
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (CID 55170280) is 3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is CN1CCC(CN(C)C(=O)c2cccc(O)c2)C1.
What is the InChIKey of 3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is XFZLYFZFSWZZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-7-6-11(9-15)10-16(2)14(18)12-4-3-5-13(17)8-12/h3-5,8,11,17H,6-7,9-10H2,1-2H3.
What are the key properties of 3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 55170280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).